6RQX
High-resolution crystal structure of ERAP1 in complex with 10mer phosphinic peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976300 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 58.004, 116.439, 147.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.681 - 1.680 |
R-factor | 0.1764 |
Rwork | 0.176 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q4r |
RMSD bond length | 0.007 |
RMSD bond angle | 0.868 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.750 | 1.742 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.093 | |
Number of reflections | 114099 | 11316 |
<I/σ(I)> | 12.11 | |
Completeness [%] | 99.7 | 99.78 |
Redundancy | 5.2 | 5.3 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 200 mM potassium thiocyanate, 20% PEG 3350 |